USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -117:sc= 0.898 (180deg=-0.00919) USER MOD Single : A 18 ASN : amide:sc= -0.614 K(o=-0.61,f=-9.4!) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0153) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0435) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 0.113 (180deg=0.0155) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -111:sc= 0.196 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=-0.036) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 9.775 4.930 0.558 1.00 0.00 N ATOM 51 CA LEU A 6 9.385 5.523 1.840 1.00 0.00 C ATOM 52 C LEU A 6 8.144 4.772 2.321 1.00 0.00 C ATOM 53 O LEU A 6 7.038 5.313 2.376 1.00 0.00 O ATOM 54 CB LEU A 6 9.171 7.051 1.686 1.00 0.00 C ATOM 55 CG LEU A 6 10.435 7.827 1.216 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.113 9.324 0.973 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.600 7.645 2.228 1.00 0.00 C ATOM 0 HA LEU A 6 10.166 5.421 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.366 7.224 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.842 7.459 2.642 1.00 0.00 H new ATOM 0 HG LEU A 6 10.758 7.409 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.015 9.842 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.345 9.411 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.753 9.773 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.474 8.196 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.297 8.024 3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.848 6.587 2.311 1.00 0.00 H new ATOM 69 N TYR A 7 8.400 3.487 2.631 1.00 0.00 N ATOM 70 CA TYR A 7 7.402 2.435 2.899 1.00 0.00 C ATOM 71 C TYR A 7 6.214 2.924 3.754 1.00 0.00 C ATOM 72 O TYR A 7 5.149 3.263 3.228 1.00 0.00 O ATOM 73 CB TYR A 7 8.126 1.242 3.588 1.00 0.00 C ATOM 74 CG TYR A 7 9.286 0.647 2.785 1.00 0.00 C ATOM 75 CD1 TYR A 7 9.057 -0.102 1.629 1.00 0.00 C ATOM 76 CD2 TYR A 7 10.616 0.819 3.191 1.00 0.00 C ATOM 77 CE1 TYR A 7 10.105 -0.653 0.916 1.00 0.00 C ATOM 78 CE2 TYR A 7 11.660 0.273 2.473 1.00 0.00 C ATOM 79 CZ TYR A 7 11.401 -0.463 1.340 1.00 0.00 C ATOM 80 OH TYR A 7 12.437 -1.028 0.631 1.00 0.00 O ATOM 0 H TYR A 7 9.355 3.138 2.705 1.00 0.00 H new ATOM 0 HA TYR A 7 6.968 2.127 1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.504 1.574 4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.397 0.456 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.044 -0.253 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.828 1.390 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.907 -1.233 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 7 12.678 0.423 2.800 1.00 0.00 H new ATOM 0 HH TYR A 7 13.289 -0.800 1.059 1.00 0.00 H new ATOM 90 N GLU A 8 6.414 2.948 5.062 1.00 0.00 N ATOM 91 CA GLU A 8 5.451 3.455 6.027 1.00 0.00 C ATOM 92 C GLU A 8 6.255 3.770 7.268 1.00 0.00 C ATOM 93 O GLU A 8 6.942 2.883 7.759 1.00 0.00 O ATOM 94 CB GLU A 8 4.347 2.397 6.305 1.00 0.00 C ATOM 95 CG GLU A 8 3.267 2.836 7.304 1.00 0.00 C ATOM 96 CD GLU A 8 2.177 1.768 7.495 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.260 1.689 6.654 1.00 0.00 O ATOM 98 OE2 GLU A 8 2.238 0.990 8.469 1.00 0.00 O ATOM 0 H GLU A 8 7.273 2.607 5.493 1.00 0.00 H new ATOM 0 HA GLU A 8 4.929 4.341 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.865 2.139 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.820 1.489 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.732 3.053 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.808 3.761 6.956 1.00 0.00 H new ATOM 105 N VAL A 9 6.245 5.022 7.735 1.00 0.00 N ATOM 106 CA VAL A 9 7.013 5.419 8.925 1.00 0.00 C ATOM 107 C VAL A 9 6.140 5.317 10.177 1.00 0.00 C ATOM 108 O VAL A 9 4.944 5.631 10.143 1.00 0.00 O ATOM 109 CB VAL A 9 7.620 6.871 8.793 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.643 6.931 7.633 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.512 7.945 8.626 1.00 0.00 C ATOM 0 H VAL A 9 5.714 5.781 7.308 1.00 0.00 H new ATOM 0 HA VAL A 9 7.852 4.729 9.013 1.00 0.00 H new ATOM 0 HB VAL A 9 8.145 7.097 9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.050 7.939 7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.452 6.227 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.148 6.669 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.970 8.930 8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.933 7.733 7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.854 7.927 9.495 1.00 0.00 H new ATOM 121 N GLU A 10 6.740 4.807 11.262 1.00 0.00 N ATOM 122 CA GLU A 10 6.161 4.910 12.601 1.00 0.00 C ATOM 123 C GLU A 10 6.267 6.373 13.045 1.00 0.00 C ATOM 124 O GLU A 10 5.248 7.003 13.336 1.00 0.00 O ATOM 125 CB GLU A 10 6.890 3.967 13.600 1.00 0.00 C ATOM 126 CG GLU A 10 6.349 3.996 15.047 1.00 0.00 C ATOM 127 CD GLU A 10 4.874 3.563 15.151 1.00 0.00 C ATOM 128 OE1 GLU A 10 4.596 2.349 15.086 1.00 0.00 O ATOM 129 OE2 GLU A 10 3.981 4.428 15.280 1.00 0.00 O ATOM 0 H GLU A 10 7.633 4.316 11.233 1.00 0.00 H new ATOM 0 HA GLU A 10 5.116 4.599 12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.824 2.946 13.225 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.947 4.232 13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.958 3.341 15.669 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.454 5.004 15.448 1.00 0.00 H new ATOM 136 N ARG A 11 7.511 6.914 13.018 1.00 0.00 N ATOM 137 CA ARG A 11 7.792 8.313 13.421 1.00 0.00 C ATOM 138 C ARG A 11 9.290 8.615 13.284 1.00 0.00 C ATOM 139 O ARG A 11 10.087 7.723 12.942 1.00 0.00 O ATOM 140 CB ARG A 11 7.336 8.580 14.896 1.00 0.00 C ATOM 141 CG ARG A 11 8.221 7.942 15.990 1.00 0.00 C ATOM 142 CD ARG A 11 7.567 7.981 17.382 1.00 0.00 C ATOM 143 NE ARG A 11 7.014 9.313 17.714 1.00 0.00 N ATOM 144 CZ ARG A 11 6.211 9.588 18.757 1.00 0.00 C ATOM 145 NH1 ARG A 11 5.865 8.646 19.628 1.00 0.00 N ATOM 146 NH2 ARG A 11 5.753 10.822 18.912 1.00 0.00 N ATOM 0 H ARG A 11 8.339 6.398 12.719 1.00 0.00 H new ATOM 0 HA ARG A 11 7.227 8.970 12.760 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.306 9.657 15.060 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.317 8.211 15.016 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.433 6.907 15.722 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.177 8.464 16.028 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.769 7.239 17.425 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.305 7.700 18.134 1.00 0.00 H new ATOM 0 HE ARG A 11 7.263 10.088 17.100 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.210 7.693 19.512 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.255 8.876 20.412 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.010 11.549 18.245 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.143 11.045 19.699 1.00 0.00 H new ATOM 160 N ILE A 12 9.667 9.877 13.559 1.00 0.00 N ATOM 161 CA ILE A 12 11.071 10.260 13.716 1.00 0.00 C ATOM 162 C ILE A 12 11.517 9.920 15.141 1.00 0.00 C ATOM 163 O ILE A 12 10.888 10.344 16.115 1.00 0.00 O ATOM 164 CB ILE A 12 11.338 11.786 13.441 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.748 12.220 12.057 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.866 12.100 13.533 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.269 13.543 11.527 1.00 0.00 C ATOM 0 H ILE A 12 9.010 10.649 13.677 1.00 0.00 H new ATOM 0 HA ILE A 12 11.642 9.703 12.973 1.00 0.00 H new ATOM 0 HB ILE A 12 10.828 12.367 14.209 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.965 11.441 11.326 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.663 12.282 12.144 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.032 13.160 13.340 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.229 11.852 14.530 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.404 11.508 12.793 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.803 13.758 10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.028 14.338 12.233 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.350 13.484 11.402 1.00 0.00 H new ATOM 179 N VAL A 13 12.577 9.121 15.230 1.00 0.00 N ATOM 180 CA VAL A 13 13.231 8.752 16.488 1.00 0.00 C ATOM 181 C VAL A 13 14.028 9.956 17.015 1.00 0.00 C ATOM 182 O VAL A 13 13.789 10.437 18.125 1.00 0.00 O ATOM 183 CB VAL A 13 14.214 7.538 16.277 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.852 7.070 17.601 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.524 6.376 15.541 1.00 0.00 C ATOM 0 H VAL A 13 13.018 8.701 14.412 1.00 0.00 H new ATOM 0 HA VAL A 13 12.463 8.460 17.205 1.00 0.00 H new ATOM 0 HB VAL A 13 15.026 7.894 15.643 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.521 6.232 17.406 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.417 7.891 18.043 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.069 6.756 18.291 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.231 5.556 15.412 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.670 6.031 16.125 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.182 6.716 14.564 1.00 0.00 H new ATOM 195 N ASP A 14 14.939 10.456 16.161 1.00 0.00 N ATOM 196 CA ASP A 14 15.966 11.433 16.550 1.00 0.00 C ATOM 197 C ASP A 14 16.552 12.073 15.264 1.00 0.00 C ATOM 198 O ASP A 14 16.038 11.839 14.164 1.00 0.00 O ATOM 199 CB ASP A 14 17.073 10.722 17.407 1.00 0.00 C ATOM 200 CG ASP A 14 17.744 11.655 18.435 1.00 0.00 C ATOM 201 OD1 ASP A 14 17.239 11.755 19.571 1.00 0.00 O ATOM 202 OD2 ASP A 14 18.759 12.297 18.117 1.00 0.00 O ATOM 0 H ASP A 14 14.982 10.191 15.177 1.00 0.00 H new ATOM 0 HA ASP A 14 15.535 12.224 17.164 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.629 9.876 17.931 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.836 10.320 16.740 1.00 0.00 H new ATOM 207 N LYS A 15 17.591 12.901 15.405 1.00 0.00 N ATOM 208 CA LYS A 15 18.384 13.408 14.261 1.00 0.00 C ATOM 209 C LYS A 15 19.869 13.275 14.600 1.00 0.00 C ATOM 210 O LYS A 15 20.233 13.076 15.764 1.00 0.00 O ATOM 211 CB LYS A 15 17.993 14.888 13.887 1.00 0.00 C ATOM 212 CG LYS A 15 18.361 15.989 14.931 1.00 0.00 C ATOM 213 CD LYS A 15 19.819 16.517 14.832 1.00 0.00 C ATOM 214 CE LYS A 15 20.268 17.277 16.098 1.00 0.00 C ATOM 215 NZ LYS A 15 21.703 17.655 16.041 1.00 0.00 N ATOM 0 H LYS A 15 17.913 13.243 16.310 1.00 0.00 H new ATOM 0 HA LYS A 15 18.164 12.811 13.376 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.474 15.140 12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.917 14.924 13.717 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.676 16.828 14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.201 15.589 15.932 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.493 15.678 14.659 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.904 17.177 13.969 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.661 18.175 16.216 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.092 16.655 16.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.963 18.163 16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.285 16.797 15.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.868 18.270 15.218 1.00 0.00 H new ATOM 229 N ARG A 16 20.717 13.421 13.579 1.00 0.00 N ATOM 230 CA ARG A 16 22.175 13.382 13.735 1.00 0.00 C ATOM 231 C ARG A 16 22.847 13.979 12.493 1.00 0.00 C ATOM 232 O ARG A 16 22.160 14.452 11.574 1.00 0.00 O ATOM 233 CB ARG A 16 22.644 11.927 14.045 1.00 0.00 C ATOM 234 CG ARG A 16 22.450 10.878 12.902 1.00 0.00 C ATOM 235 CD ARG A 16 23.743 10.605 12.120 1.00 0.00 C ATOM 236 NE ARG A 16 23.552 9.697 10.977 1.00 0.00 N ATOM 237 CZ ARG A 16 24.544 9.133 10.271 1.00 0.00 C ATOM 238 NH1 ARG A 16 25.813 9.329 10.610 1.00 0.00 N ATOM 239 NH2 ARG A 16 24.256 8.383 9.234 1.00 0.00 N ATOM 0 H ARG A 16 20.412 13.570 12.617 1.00 0.00 H new ATOM 0 HA ARG A 16 22.477 13.994 14.585 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.702 11.957 14.306 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.108 11.575 14.927 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.085 9.944 13.330 1.00 0.00 H new ATOM 0 HG3 ARG A 16 21.683 11.234 12.214 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.148 11.551 11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 16 24.484 10.177 12.795 1.00 0.00 H new ATOM 0 HE ARG A 16 22.594 9.480 10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 16 26.042 9.913 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 16 26.559 8.895 10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.283 8.232 8.969 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.005 7.951 8.693 1.00 0.00 H new ATOM 253 N LYS A 17 24.185 14.014 12.493 1.00 0.00 N ATOM 254 CA LYS A 17 24.968 14.483 11.338 1.00 0.00 C ATOM 255 C LYS A 17 25.744 13.293 10.742 1.00 0.00 C ATOM 256 O LYS A 17 26.299 12.482 11.488 1.00 0.00 O ATOM 257 CB LYS A 17 25.947 15.644 11.745 1.00 0.00 C ATOM 258 CG LYS A 17 26.107 16.771 10.687 1.00 0.00 C ATOM 259 CD LYS A 17 25.202 18.010 10.916 1.00 0.00 C ATOM 260 CE LYS A 17 23.694 17.733 10.829 1.00 0.00 C ATOM 261 NZ LYS A 17 22.911 18.987 10.933 1.00 0.00 N ATOM 0 H LYS A 17 24.754 13.721 13.287 1.00 0.00 H new ATOM 0 HA LYS A 17 24.288 14.886 10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.593 16.088 12.675 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.929 15.216 11.949 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.148 17.095 10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.892 16.358 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.424 18.428 11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.460 18.771 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.467 17.237 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.400 17.051 11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.317 18.956 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 23.560 19.798 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.306 19.089 10.093 1.00 0.00 H new ATOM 275 N ASN A 18 25.741 13.178 9.408 1.00 0.00 N ATOM 276 CA ASN A 18 26.591 12.212 8.662 1.00 0.00 C ATOM 277 C ASN A 18 28.090 12.563 8.898 1.00 0.00 C ATOM 278 O ASN A 18 28.400 13.673 9.335 1.00 0.00 O ATOM 279 CB ASN A 18 26.196 12.290 7.148 1.00 0.00 C ATOM 280 CG ASN A 18 26.771 11.203 6.213 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.868 10.688 6.398 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.017 10.867 5.176 1.00 0.00 N ATOM 0 H ASN A 18 25.150 13.750 8.804 1.00 0.00 H new ATOM 0 HA ASN A 18 26.438 11.190 9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 18 25.109 12.254 7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.507 13.263 6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.346 10.167 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.107 11.309 5.042 1.00 0.00 H new ATOM 289 N LYS A 19 29.012 11.619 8.623 1.00 0.00 N ATOM 290 CA LYS A 19 30.478 11.884 8.640 1.00 0.00 C ATOM 291 C LYS A 19 30.830 12.988 7.604 1.00 0.00 C ATOM 292 O LYS A 19 31.794 13.732 7.756 1.00 0.00 O ATOM 293 CB LYS A 19 31.267 10.559 8.379 1.00 0.00 C ATOM 294 CG LYS A 19 31.215 9.998 6.916 1.00 0.00 C ATOM 295 CD LYS A 19 32.460 10.386 6.075 1.00 0.00 C ATOM 296 CE LYS A 19 32.378 9.899 4.621 1.00 0.00 C ATOM 297 NZ LYS A 19 32.223 8.422 4.506 1.00 0.00 N ATOM 0 H LYS A 19 28.772 10.657 8.384 1.00 0.00 H new ATOM 0 HA LYS A 19 30.773 12.250 9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 19 32.311 10.724 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.883 9.793 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 19 31.131 8.912 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 19 30.318 10.371 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 19 32.574 11.470 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 19 33.352 9.968 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 19 31.536 10.386 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 19 33.279 10.206 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 32.225 8.150 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 33.012 7.951 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 31.324 8.132 4.942 1.00 0.00 H new ATOM 311 N LYS A 20 29.976 13.070 6.568 1.00 0.00 N ATOM 312 CA LYS A 20 30.003 14.110 5.523 1.00 0.00 C ATOM 313 C LYS A 20 29.403 15.460 6.004 1.00 0.00 C ATOM 314 O LYS A 20 29.292 16.400 5.209 1.00 0.00 O ATOM 315 CB LYS A 20 29.220 13.569 4.287 1.00 0.00 C ATOM 316 CG LYS A 20 30.028 12.612 3.385 1.00 0.00 C ATOM 317 CD LYS A 20 31.157 13.348 2.624 1.00 0.00 C ATOM 318 CE LYS A 20 30.604 14.388 1.627 1.00 0.00 C ATOM 319 NZ LYS A 20 29.881 13.736 0.503 1.00 0.00 N ATOM 0 H LYS A 20 29.225 12.394 6.430 1.00 0.00 H new ATOM 0 HA LYS A 20 31.041 14.320 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 20 28.327 13.051 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 20 28.883 14.415 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 20 30.459 11.817 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 20 29.358 12.137 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 20 31.811 13.845 3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 20 31.766 12.620 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 20 29.931 15.070 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 20 31.424 14.988 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 29.626 14.452 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 30.493 13.018 0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 29.017 13.282 0.863 1.00 0.00 H new ATOM 333 N GLY A 21 29.043 15.539 7.302 1.00 0.00 N ATOM 334 CA GLY A 21 28.422 16.727 7.890 1.00 0.00 C ATOM 335 C GLY A 21 27.076 17.070 7.250 1.00 0.00 C ATOM 336 O GLY A 21 26.732 18.245 7.090 1.00 0.00 O ATOM 0 H GLY A 21 29.178 14.776 7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 21 28.281 16.566 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 21 29.097 17.576 7.782 1.00 0.00 H new ATOM 340 N LYS A 22 26.330 16.019 6.858 1.00 0.00 N ATOM 341 CA LYS A 22 25.020 16.148 6.187 1.00 0.00 C ATOM 342 C LYS A 22 23.868 16.003 7.202 1.00 0.00 C ATOM 343 O LYS A 22 24.043 15.376 8.252 1.00 0.00 O ATOM 344 CB LYS A 22 24.882 15.077 5.077 1.00 0.00 C ATOM 345 CG LYS A 22 25.917 15.203 3.941 1.00 0.00 C ATOM 346 CD LYS A 22 25.833 16.562 3.216 1.00 0.00 C ATOM 347 CE LYS A 22 26.747 16.644 1.982 1.00 0.00 C ATOM 348 NZ LYS A 22 26.541 17.911 1.235 1.00 0.00 N ATOM 0 H LYS A 22 26.620 15.051 6.998 1.00 0.00 H new ATOM 0 HA LYS A 22 24.963 17.139 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.974 14.089 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.881 15.140 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.919 15.074 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.761 14.400 3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.802 16.741 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.101 17.356 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.789 16.570 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.550 15.797 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.173 17.934 0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.553 17.970 0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.753 18.718 1.855 1.00 0.00 H new ATOM 362 N TRP A 23 22.693 16.574 6.868 1.00 0.00 N ATOM 363 CA TRP A 23 21.489 16.490 7.711 1.00 0.00 C ATOM 364 C TRP A 23 20.892 15.067 7.653 1.00 0.00 C ATOM 365 O TRP A 23 20.418 14.624 6.599 1.00 0.00 O ATOM 366 CB TRP A 23 20.421 17.516 7.258 1.00 0.00 C ATOM 367 CG TRP A 23 20.842 18.959 7.360 1.00 0.00 C ATOM 368 CD1 TRP A 23 20.866 19.725 8.486 1.00 0.00 C ATOM 369 CD2 TRP A 23 21.281 19.811 6.291 1.00 0.00 C ATOM 370 NE1 TRP A 23 21.288 20.991 8.190 1.00 0.00 N ATOM 371 CE2 TRP A 23 21.553 21.069 6.850 1.00 0.00 C ATOM 372 CE3 TRP A 23 21.470 19.629 4.918 1.00 0.00 C ATOM 373 CZ2 TRP A 23 22.009 22.139 6.090 1.00 0.00 C ATOM 374 CZ3 TRP A 23 21.924 20.691 4.162 1.00 0.00 C ATOM 375 CH2 TRP A 23 22.189 21.933 4.749 1.00 0.00 C ATOM 0 H TRP A 23 22.555 17.105 6.008 1.00 0.00 H new ATOM 0 HA TRP A 23 21.782 16.719 8.735 1.00 0.00 H new ATOM 0 HB2 TRP A 23 20.151 17.304 6.224 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.523 17.372 7.858 1.00 0.00 H new ATOM 0 HD1 TRP A 23 20.591 19.381 9.472 1.00 0.00 H new ATOM 0 HE1 TRP A 23 21.389 21.754 8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 23 21.264 18.674 4.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 22.214 23.099 6.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 22.077 20.561 3.101 1.00 0.00 H new ATOM 0 HH2 TRP A 23 22.543 22.745 4.132 1.00 0.00 H new ATOM 386 N GLU A 24 20.925 14.372 8.796 1.00 0.00 N ATOM 387 CA GLU A 24 20.380 13.014 8.953 1.00 0.00 C ATOM 388 C GLU A 24 19.250 13.032 9.984 1.00 0.00 C ATOM 389 O GLU A 24 19.256 13.854 10.913 1.00 0.00 O ATOM 390 CB GLU A 24 21.499 12.046 9.422 1.00 0.00 C ATOM 391 CG GLU A 24 22.639 11.840 8.410 1.00 0.00 C ATOM 392 CD GLU A 24 22.236 10.911 7.255 1.00 0.00 C ATOM 393 OE1 GLU A 24 21.652 11.392 6.262 1.00 0.00 O ATOM 394 OE2 GLU A 24 22.490 9.688 7.342 1.00 0.00 O ATOM 0 H GLU A 24 21.337 14.741 9.653 1.00 0.00 H new ATOM 0 HA GLU A 24 19.991 12.671 7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.922 12.425 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 24 21.052 11.078 9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.942 12.806 8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 24 23.506 11.423 8.923 1.00 0.00 H new ATOM 401 N TYR A 25 18.289 12.126 9.811 1.00 0.00 N ATOM 402 CA TYR A 25 17.190 11.910 10.756 1.00 0.00 C ATOM 403 C TYR A 25 17.082 10.410 11.025 1.00 0.00 C ATOM 404 O TYR A 25 16.951 9.616 10.087 1.00 0.00 O ATOM 405 CB TYR A 25 15.849 12.455 10.193 1.00 0.00 C ATOM 406 CG TYR A 25 15.703 13.985 10.213 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.251 14.783 9.205 1.00 0.00 C ATOM 408 CD2 TYR A 25 15.000 14.632 11.238 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.099 16.157 9.220 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.851 16.006 11.253 1.00 0.00 C ATOM 411 CZ TYR A 25 15.401 16.762 10.241 1.00 0.00 C ATOM 412 OH TYR A 25 15.248 18.130 10.249 1.00 0.00 O ATOM 0 H TYR A 25 18.250 11.511 8.998 1.00 0.00 H new ATOM 0 HA TYR A 25 17.395 12.448 11.681 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.738 12.109 9.165 1.00 0.00 H new ATOM 0 HB3 TYR A 25 15.030 12.021 10.766 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.802 14.319 8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.565 14.045 12.033 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.528 16.756 8.430 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.306 16.484 12.054 1.00 0.00 H new ATOM 0 HH TYR A 25 14.730 18.397 11.037 1.00 0.00 H new ATOM 422 N LEU A 26 17.175 10.029 12.305 1.00 0.00 N ATOM 423 CA LEU A 26 16.932 8.658 12.734 1.00 0.00 C ATOM 424 C LEU A 26 15.413 8.441 12.687 1.00 0.00 C ATOM 425 O LEU A 26 14.681 9.075 13.437 1.00 0.00 O ATOM 426 CB LEU A 26 17.500 8.424 14.165 1.00 0.00 C ATOM 427 CG LEU A 26 17.654 6.937 14.609 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.558 6.156 13.639 1.00 0.00 C ATOM 429 CD2 LEU A 26 18.179 6.842 16.067 1.00 0.00 C ATOM 0 H LEU A 26 17.420 10.664 13.065 1.00 0.00 H new ATOM 0 HA LEU A 26 17.435 7.944 12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.477 8.904 14.229 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.849 8.929 14.879 1.00 0.00 H new ATOM 0 HG LEU A 26 16.666 6.477 14.580 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.646 5.123 13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.123 6.176 12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.546 6.615 13.614 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.277 5.794 16.351 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.152 7.329 16.136 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.477 7.336 16.739 1.00 0.00 H new ATOM 441 N ILE A 27 14.953 7.632 11.731 1.00 0.00 N ATOM 442 CA ILE A 27 13.528 7.311 11.530 1.00 0.00 C ATOM 443 C ILE A 27 13.326 5.819 11.810 1.00 0.00 C ATOM 444 O ILE A 27 14.248 5.026 11.642 1.00 0.00 O ATOM 445 CB ILE A 27 13.042 7.605 10.047 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.564 8.975 9.521 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.496 7.531 9.922 1.00 0.00 C ATOM 448 CD1 ILE A 27 13.030 10.176 10.251 1.00 0.00 C ATOM 0 H ILE A 27 15.567 7.170 11.060 1.00 0.00 H new ATOM 0 HA ILE A 27 12.947 7.939 12.206 1.00 0.00 H new ATOM 0 HB ILE A 27 13.471 6.822 9.422 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.652 8.982 9.586 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.307 9.065 8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.204 7.738 8.892 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.156 6.534 10.202 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.042 8.269 10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.449 11.083 9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.944 10.200 10.165 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.310 10.117 11.303 1.00 0.00 H new ATOM 460 N ARG A 28 12.121 5.447 12.235 1.00 0.00 N ATOM 461 CA ARG A 28 11.705 4.043 12.332 1.00 0.00 C ATOM 462 C ARG A 28 10.465 3.833 11.453 1.00 0.00 C ATOM 463 O ARG A 28 9.520 4.637 11.507 1.00 0.00 O ATOM 464 CB ARG A 28 11.434 3.656 13.808 1.00 0.00 C ATOM 465 CG ARG A 28 10.501 4.605 14.595 1.00 0.00 C ATOM 466 CD ARG A 28 10.279 4.149 16.051 1.00 0.00 C ATOM 467 NE ARG A 28 11.561 3.906 16.746 1.00 0.00 N ATOM 468 CZ ARG A 28 11.785 4.015 18.061 1.00 0.00 C ATOM 469 NH1 ARG A 28 10.828 4.398 18.895 1.00 0.00 N ATOM 470 NH2 ARG A 28 12.997 3.759 18.526 1.00 0.00 N ATOM 0 H ARG A 28 11.401 6.109 12.523 1.00 0.00 H new ATOM 0 HA ARG A 28 12.503 3.393 11.974 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.003 2.655 13.828 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.389 3.602 14.330 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.926 5.609 14.594 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.539 4.666 14.087 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.711 4.909 16.588 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.681 3.238 16.060 1.00 0.00 H new ATOM 0 HE ARG A 28 12.353 3.628 16.166 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.898 4.617 18.538 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.022 4.474 19.894 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.741 3.484 17.885 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.187 3.837 19.525 1.00 0.00 H new ATOM 484 N TRP A 29 10.514 2.784 10.603 1.00 0.00 N ATOM 485 CA TRP A 29 9.372 2.365 9.779 1.00 0.00 C ATOM 486 C TRP A 29 8.349 1.642 10.672 1.00 0.00 C ATOM 487 O TRP A 29 8.730 0.951 11.620 1.00 0.00 O ATOM 488 CB TRP A 29 9.798 1.420 8.615 1.00 0.00 C ATOM 489 CG TRP A 29 10.919 1.929 7.728 1.00 0.00 C ATOM 490 CD1 TRP A 29 12.198 1.467 7.687 1.00 0.00 C ATOM 491 CD2 TRP A 29 10.854 2.972 6.747 1.00 0.00 C ATOM 492 NE1 TRP A 29 12.928 2.151 6.763 1.00 0.00 N ATOM 493 CE2 TRP A 29 12.132 3.082 6.173 1.00 0.00 C ATOM 494 CE3 TRP A 29 9.850 3.818 6.295 1.00 0.00 C ATOM 495 CZ2 TRP A 29 12.434 4.002 5.183 1.00 0.00 C ATOM 496 CZ3 TRP A 29 10.152 4.737 5.312 1.00 0.00 C ATOM 497 CH2 TRP A 29 11.436 4.822 4.765 1.00 0.00 C ATOM 0 H TRP A 29 11.346 2.209 10.473 1.00 0.00 H new ATOM 0 HA TRP A 29 8.936 3.259 9.333 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.103 0.464 9.041 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.925 1.227 7.991 1.00 0.00 H new ATOM 0 HD1 TRP A 29 12.582 0.667 8.303 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.912 1.991 6.548 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.853 3.758 6.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.426 4.065 4.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.381 5.405 4.957 1.00 0.00 H new ATOM 0 HH2 TRP A 29 11.637 5.553 3.996 1.00 0.00 H new ATOM 508 N LYS A 30 7.063 1.807 10.368 1.00 0.00 N ATOM 509 CA LYS A 30 5.981 1.202 11.141 1.00 0.00 C ATOM 510 C LYS A 30 5.906 -0.300 10.836 1.00 0.00 C ATOM 511 O LYS A 30 6.011 -0.705 9.673 1.00 0.00 O ATOM 512 CB LYS A 30 4.633 1.909 10.841 1.00 0.00 C ATOM 513 CG LYS A 30 3.527 1.617 11.873 1.00 0.00 C ATOM 514 CD LYS A 30 2.240 2.430 11.616 1.00 0.00 C ATOM 515 CE LYS A 30 1.234 2.300 12.767 1.00 0.00 C ATOM 516 NZ LYS A 30 1.759 2.868 14.039 1.00 0.00 N ATOM 0 H LYS A 30 6.742 2.365 9.577 1.00 0.00 H new ATOM 0 HA LYS A 30 6.185 1.328 12.204 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.801 2.985 10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.285 1.602 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.290 0.553 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.900 1.842 12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.497 3.480 11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.776 2.090 10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.309 2.810 12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.987 1.249 12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.993 2.914 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.524 2.263 14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.127 3.825 13.866 1.00 0.00 H new ATOM 530 N GLY A 31 5.748 -1.113 11.893 1.00 0.00 N ATOM 531 CA GLY A 31 5.825 -2.571 11.788 1.00 0.00 C ATOM 532 C GLY A 31 7.245 -3.100 11.959 1.00 0.00 C ATOM 533 O GLY A 31 7.473 -4.312 11.895 1.00 0.00 O ATOM 0 H GLY A 31 5.564 -0.776 12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.181 -3.020 12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.441 -2.882 10.817 1.00 0.00 H new ATOM 537 N TYR A 32 8.204 -2.178 12.164 1.00 0.00 N ATOM 538 CA TYR A 32 9.611 -2.505 12.426 1.00 0.00 C ATOM 539 C TYR A 32 10.006 -1.833 13.751 1.00 0.00 C ATOM 540 O TYR A 32 10.339 -2.502 14.729 1.00 0.00 O ATOM 541 CB TYR A 32 10.508 -2.023 11.251 1.00 0.00 C ATOM 542 CG TYR A 32 10.153 -2.656 9.893 1.00 0.00 C ATOM 543 CD1 TYR A 32 9.165 -2.100 9.074 1.00 0.00 C ATOM 544 CD2 TYR A 32 10.784 -3.822 9.440 1.00 0.00 C ATOM 545 CE1 TYR A 32 8.825 -2.672 7.863 1.00 0.00 C ATOM 546 CE2 TYR A 32 10.446 -4.396 8.224 1.00 0.00 C ATOM 547 CZ TYR A 32 9.465 -3.814 7.443 1.00 0.00 C ATOM 548 OH TYR A 32 9.128 -4.377 6.230 1.00 0.00 O ATOM 0 H TYR A 32 8.018 -1.175 12.151 1.00 0.00 H new ATOM 0 HA TYR A 32 9.749 -3.583 12.506 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.428 -0.939 11.167 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.548 -2.249 11.485 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.656 -1.203 9.395 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.548 -4.282 10.049 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.059 -2.223 7.248 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.946 -5.293 7.889 1.00 0.00 H new ATOM 0 HH TYR A 32 9.672 -5.178 6.079 1.00 0.00 H new ATOM 558 N GLY A 33 9.932 -0.496 13.754 1.00 0.00 N ATOM 559 CA GLY A 33 10.049 0.309 14.964 1.00 0.00 C ATOM 560 C GLY A 33 11.472 0.413 15.492 1.00 0.00 C ATOM 561 O GLY A 33 12.388 0.784 14.752 1.00 0.00 O ATOM 0 H GLY A 33 9.788 0.056 12.908 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.672 1.311 14.761 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.414 -0.120 15.739 1.00 0.00 H new ATOM 565 N SER A 34 11.644 0.062 16.773 1.00 0.00 N ATOM 566 CA SER A 34 12.911 0.226 17.511 1.00 0.00 C ATOM 567 C SER A 34 14.052 -0.590 16.850 1.00 0.00 C ATOM 568 O SER A 34 15.120 -0.037 16.543 1.00 0.00 O ATOM 569 CB SER A 34 12.704 -0.202 18.979 1.00 0.00 C ATOM 570 OG SER A 34 13.851 0.068 19.773 1.00 0.00 O ATOM 0 H SER A 34 10.900 -0.349 17.336 1.00 0.00 H new ATOM 0 HA SER A 34 13.206 1.275 17.482 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.843 0.323 19.393 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.477 -1.267 19.019 1.00 0.00 H new ATOM 0 HG SER A 34 13.683 -0.214 20.696 1.00 0.00 H new ATOM 576 N THR A 35 13.768 -1.881 16.549 1.00 0.00 N ATOM 577 CA THR A 35 14.752 -2.819 15.950 1.00 0.00 C ATOM 578 C THR A 35 15.271 -2.324 14.572 1.00 0.00 C ATOM 579 O THR A 35 16.326 -2.755 14.106 1.00 0.00 O ATOM 580 CB THR A 35 14.154 -4.268 15.815 1.00 0.00 C ATOM 581 OG1 THR A 35 15.184 -5.208 15.430 1.00 0.00 O ATOM 582 CG2 THR A 35 12.999 -4.344 14.798 1.00 0.00 C ATOM 0 H THR A 35 12.853 -2.301 16.714 1.00 0.00 H new ATOM 0 HA THR A 35 15.601 -2.854 16.633 1.00 0.00 H new ATOM 0 HB THR A 35 13.754 -4.527 16.796 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.796 -6.105 15.352 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.626 -5.367 14.747 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.194 -3.679 15.111 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.359 -4.039 13.815 1.00 0.00 H new ATOM 590 N GLU A 36 14.503 -1.411 13.946 1.00 0.00 N ATOM 591 CA GLU A 36 14.854 -0.796 12.667 1.00 0.00 C ATOM 592 C GLU A 36 15.891 0.328 12.872 1.00 0.00 C ATOM 593 O GLU A 36 17.033 0.196 12.413 1.00 0.00 O ATOM 594 CB GLU A 36 13.570 -0.223 11.996 1.00 0.00 C ATOM 595 CG GLU A 36 13.796 0.457 10.636 1.00 0.00 C ATOM 596 CD GLU A 36 14.387 -0.489 9.572 1.00 0.00 C ATOM 597 OE1 GLU A 36 13.670 -1.418 9.138 1.00 0.00 O ATOM 598 OE2 GLU A 36 15.547 -0.302 9.153 1.00 0.00 O ATOM 0 H GLU A 36 13.615 -1.082 14.324 1.00 0.00 H new ATOM 0 HA GLU A 36 15.294 -1.554 12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.854 -1.034 11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.114 0.498 12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.847 0.853 10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.466 1.306 10.769 1.00 0.00 H new ATOM 605 N ASP A 37 15.477 1.346 13.666 1.00 0.00 N ATOM 606 CA ASP A 37 16.035 2.733 13.687 1.00 0.00 C ATOM 607 C ASP A 37 17.092 3.020 12.586 1.00 0.00 C ATOM 608 O ASP A 37 18.300 2.833 12.799 1.00 0.00 O ATOM 609 CB ASP A 37 16.575 3.084 15.107 1.00 0.00 C ATOM 610 CG ASP A 37 15.493 3.102 16.213 1.00 0.00 C ATOM 611 OD1 ASP A 37 14.285 3.052 15.896 1.00 0.00 O ATOM 612 OD2 ASP A 37 15.849 3.167 17.411 1.00 0.00 O ATOM 0 H ASP A 37 14.718 1.226 14.336 1.00 0.00 H new ATOM 0 HA ASP A 37 15.201 3.393 13.448 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.344 2.361 15.379 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.055 4.062 15.069 1.00 0.00 H new ATOM 617 N THR A 38 16.603 3.449 11.412 1.00 0.00 N ATOM 618 CA THR A 38 17.421 3.679 10.210 1.00 0.00 C ATOM 619 C THR A 38 17.639 5.187 9.995 1.00 0.00 C ATOM 620 O THR A 38 16.755 5.985 10.279 1.00 0.00 O ATOM 621 CB THR A 38 16.731 3.056 8.946 1.00 0.00 C ATOM 622 OG1 THR A 38 17.533 3.280 7.771 1.00 0.00 O ATOM 623 CG2 THR A 38 15.310 3.610 8.706 1.00 0.00 C ATOM 0 H THR A 38 15.613 3.649 11.269 1.00 0.00 H new ATOM 0 HA THR A 38 18.387 3.196 10.356 1.00 0.00 H new ATOM 0 HB THR A 38 16.642 1.987 9.140 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.079 3.919 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.882 3.143 7.819 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.683 3.390 9.570 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.360 4.689 8.560 1.00 0.00 H new ATOM 631 N TRP A 39 18.816 5.577 9.483 1.00 0.00 N ATOM 632 CA TRP A 39 19.126 6.995 9.212 1.00 0.00 C ATOM 633 C TRP A 39 18.653 7.354 7.794 1.00 0.00 C ATOM 634 O TRP A 39 19.270 6.931 6.807 1.00 0.00 O ATOM 635 CB TRP A 39 20.645 7.278 9.358 1.00 0.00 C ATOM 636 CG TRP A 39 21.229 6.829 10.673 1.00 0.00 C ATOM 637 CD1 TRP A 39 21.322 7.548 11.833 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.791 5.540 10.956 1.00 0.00 C ATOM 639 NE1 TRP A 39 21.924 6.793 12.805 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.217 5.555 12.291 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.981 4.380 10.197 1.00 0.00 C ATOM 642 CZ2 TRP A 39 22.814 4.452 12.893 1.00 0.00 C ATOM 643 CZ3 TRP A 39 22.570 3.283 10.794 1.00 0.00 C ATOM 644 CH2 TRP A 39 22.986 3.327 12.130 1.00 0.00 C ATOM 0 H TRP A 39 19.571 4.933 9.247 1.00 0.00 H new ATOM 0 HA TRP A 39 18.603 7.612 9.943 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.176 6.780 8.547 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.818 8.348 9.242 1.00 0.00 H new ATOM 0 HD1 TRP A 39 20.972 8.561 11.963 1.00 0.00 H new ATOM 0 HE1 TRP A 39 22.122 7.101 13.757 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.672 4.343 9.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 23.131 4.481 13.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.712 2.378 10.222 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.452 2.457 12.568 1.00 0.00 H new ATOM 655 N GLU A 40 17.527 8.075 7.696 1.00 0.00 N ATOM 656 CA GLU A 40 17.036 8.616 6.423 1.00 0.00 C ATOM 657 C GLU A 40 17.571 10.056 6.259 1.00 0.00 C ATOM 658 O GLU A 40 17.573 10.821 7.232 1.00 0.00 O ATOM 659 CB GLU A 40 15.481 8.595 6.370 1.00 0.00 C ATOM 660 CG GLU A 40 14.839 7.196 6.516 1.00 0.00 C ATOM 661 CD GLU A 40 15.349 6.182 5.479 1.00 0.00 C ATOM 662 OE1 GLU A 40 14.880 6.211 4.319 1.00 0.00 O ATOM 663 OE2 GLU A 40 16.227 5.352 5.814 1.00 0.00 O ATOM 0 H GLU A 40 16.933 8.298 8.495 1.00 0.00 H new ATOM 0 HA GLU A 40 17.395 7.995 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.097 9.238 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.159 9.028 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.040 6.814 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.757 7.289 6.422 1.00 0.00 H new ATOM 670 N PRO A 41 18.052 10.446 5.037 1.00 0.00 N ATOM 671 CA PRO A 41 18.578 11.804 4.787 1.00 0.00 C ATOM 672 C PRO A 41 17.437 12.835 4.728 1.00 0.00 C ATOM 673 O PRO A 41 16.322 12.489 4.338 1.00 0.00 O ATOM 674 CB PRO A 41 19.310 11.651 3.432 1.00 0.00 C ATOM 675 CG PRO A 41 18.587 10.551 2.730 1.00 0.00 C ATOM 676 CD PRO A 41 18.104 9.604 3.811 1.00 0.00 C ATOM 0 HA PRO A 41 19.237 12.171 5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.276 12.577 2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.362 11.404 3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.749 10.942 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.245 10.038 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.125 9.191 3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 41 18.784 8.761 3.935 1.00 0.00 H new ATOM 684 N GLU A 42 17.745 14.085 5.118 1.00 0.00 N ATOM 685 CA GLU A 42 16.758 15.183 5.240 1.00 0.00 C ATOM 686 C GLU A 42 15.919 15.325 3.955 1.00 0.00 C ATOM 687 O GLU A 42 14.711 15.165 3.979 1.00 0.00 O ATOM 688 CB GLU A 42 17.498 16.514 5.589 1.00 0.00 C ATOM 689 CG GLU A 42 16.615 17.729 5.993 1.00 0.00 C ATOM 690 CD GLU A 42 15.902 18.430 4.824 1.00 0.00 C ATOM 691 OE1 GLU A 42 16.600 19.021 3.974 1.00 0.00 O ATOM 692 OE2 GLU A 42 14.655 18.390 4.741 1.00 0.00 O ATOM 0 H GLU A 42 18.694 14.368 5.361 1.00 0.00 H new ATOM 0 HA GLU A 42 16.064 14.947 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.190 16.312 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.098 16.804 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.864 17.392 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 42 17.240 18.458 6.508 1.00 0.00 H new ATOM 699 N HIS A 43 16.588 15.550 2.826 1.00 0.00 N ATOM 700 CA HIS A 43 15.917 15.857 1.547 1.00 0.00 C ATOM 701 C HIS A 43 15.117 14.655 0.979 1.00 0.00 C ATOM 702 O HIS A 43 14.383 14.815 0.000 1.00 0.00 O ATOM 703 CB HIS A 43 16.951 16.370 0.513 1.00 0.00 C ATOM 704 CG HIS A 43 17.590 17.690 0.887 1.00 0.00 C ATOM 705 ND1 HIS A 43 17.098 18.909 0.468 1.00 0.00 N ATOM 706 CD2 HIS A 43 18.680 17.974 1.646 1.00 0.00 C ATOM 707 CE1 HIS A 43 17.859 19.880 0.943 1.00 0.00 C ATOM 708 NE2 HIS A 43 18.824 19.342 1.663 1.00 0.00 N ATOM 0 H HIS A 43 17.606 15.527 2.763 1.00 0.00 H new ATOM 0 HA HIS A 43 15.187 16.641 1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.733 15.620 0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.460 16.476 -0.455 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.316 17.258 2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.715 20.936 0.770 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.557 19.856 2.152 1.00 0.00 H new ATOM 717 N HIS A 44 15.248 13.454 1.595 1.00 0.00 N ATOM 718 CA HIS A 44 14.570 12.227 1.114 1.00 0.00 C ATOM 719 C HIS A 44 13.827 11.467 2.240 1.00 0.00 C ATOM 720 O HIS A 44 13.314 10.379 1.966 1.00 0.00 O ATOM 721 CB HIS A 44 15.601 11.263 0.453 1.00 0.00 C ATOM 722 CG HIS A 44 16.264 11.775 -0.804 1.00 0.00 C ATOM 723 ND1 HIS A 44 15.898 11.363 -2.068 1.00 0.00 N ATOM 724 CD2 HIS A 44 17.289 12.646 -0.983 1.00 0.00 C ATOM 725 CE1 HIS A 44 16.669 11.951 -2.965 1.00 0.00 C ATOM 726 NE2 HIS A 44 17.520 12.737 -2.335 1.00 0.00 N ATOM 0 H HIS A 44 15.819 13.310 2.428 1.00 0.00 H new ATOM 0 HA HIS A 44 13.828 12.554 0.385 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.377 11.034 1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.096 10.325 0.220 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.825 13.171 -0.206 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.612 11.811 -4.034 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.232 13.317 -2.778 1.00 0.00 H new ATOM 735 N LEU A 45 13.753 12.015 3.489 1.00 0.00 N ATOM 736 CA LEU A 45 13.232 11.232 4.657 1.00 0.00 C ATOM 737 C LEU A 45 11.722 10.915 4.501 1.00 0.00 C ATOM 738 O LEU A 45 11.286 9.776 4.696 1.00 0.00 O ATOM 739 CB LEU A 45 13.523 11.927 6.048 1.00 0.00 C ATOM 740 CG LEU A 45 12.509 13.008 6.588 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.773 13.347 8.066 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.501 14.297 5.746 1.00 0.00 C ATOM 0 H LEU A 45 14.038 12.969 3.712 1.00 0.00 H new ATOM 0 HA LEU A 45 13.782 10.291 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.598 11.141 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.503 12.399 5.982 1.00 0.00 H new ATOM 0 HG LEU A 45 11.522 12.554 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.055 14.095 8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.668 12.446 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.784 13.741 8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.784 15.002 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.496 14.743 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.218 14.060 4.721 1.00 0.00 H new ATOM 754 N LEU A 46 10.961 11.945 4.104 1.00 0.00 N ATOM 755 CA LEU A 46 9.490 11.929 3.965 1.00 0.00 C ATOM 756 C LEU A 46 9.092 12.940 2.878 1.00 0.00 C ATOM 757 O LEU A 46 9.917 13.733 2.410 1.00 0.00 O ATOM 758 CB LEU A 46 8.736 12.285 5.319 1.00 0.00 C ATOM 759 CG LEU A 46 8.377 11.109 6.300 1.00 0.00 C ATOM 760 CD1 LEU A 46 7.829 9.888 5.535 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.539 10.741 7.255 1.00 0.00 C ATOM 0 H LEU A 46 11.365 12.849 3.860 1.00 0.00 H new ATOM 0 HA LEU A 46 9.192 10.916 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.352 12.999 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.809 12.797 5.060 1.00 0.00 H new ATOM 0 HG LEU A 46 7.577 11.471 6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.591 9.093 6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.928 10.173 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.581 9.533 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.230 9.924 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.406 10.431 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.801 11.609 7.861 1.00 0.00 H new ATOM 773 N HIS A 47 7.817 12.881 2.482 1.00 0.00 N ATOM 774 CA HIS A 47 7.171 13.891 1.619 1.00 0.00 C ATOM 775 C HIS A 47 6.370 14.898 2.484 1.00 0.00 C ATOM 776 O HIS A 47 5.902 15.930 1.989 1.00 0.00 O ATOM 777 CB HIS A 47 6.256 13.171 0.591 1.00 0.00 C ATOM 778 CG HIS A 47 5.513 14.092 -0.348 1.00 0.00 C ATOM 779 ND1 HIS A 47 4.154 14.324 -0.260 1.00 0.00 N ATOM 780 CD2 HIS A 47 5.951 14.860 -1.373 1.00 0.00 C ATOM 781 CE1 HIS A 47 3.795 15.187 -1.188 1.00 0.00 C ATOM 782 NE2 HIS A 47 4.863 15.534 -1.872 1.00 0.00 N ATOM 0 H HIS A 47 7.191 12.123 2.752 1.00 0.00 H new ATOM 0 HA HIS A 47 7.928 14.455 1.075 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.865 12.487 0.000 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.530 12.565 1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.967 14.930 -1.732 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.792 15.549 -1.358 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.881 16.196 -2.647 1.00 0.00 H new ATOM 791 N CYS A 48 6.259 14.605 3.794 1.00 0.00 N ATOM 792 CA CYS A 48 5.422 15.371 4.732 1.00 0.00 C ATOM 793 C CYS A 48 6.283 15.927 5.892 1.00 0.00 C ATOM 794 O CYS A 48 6.867 15.153 6.664 1.00 0.00 O ATOM 795 CB CYS A 48 4.304 14.453 5.265 1.00 0.00 C ATOM 796 SG CYS A 48 3.368 13.597 3.981 1.00 0.00 S ATOM 0 H CYS A 48 6.751 13.826 4.232 1.00 0.00 H new ATOM 0 HA CYS A 48 4.973 16.221 4.218 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.746 13.712 5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.615 15.049 5.864 1.00 0.00 H new ATOM 0 HG CYS A 48 2.457 12.852 4.532 1.00 0.00 H new ATOM 802 N GLU A 49 6.346 17.272 5.995 1.00 0.00 N ATOM 803 CA GLU A 49 7.116 17.992 7.041 1.00 0.00 C ATOM 804 C GLU A 49 6.451 17.858 8.442 1.00 0.00 C ATOM 805 O GLU A 49 7.069 18.183 9.460 1.00 0.00 O ATOM 806 CB GLU A 49 7.270 19.498 6.654 1.00 0.00 C ATOM 807 CG GLU A 49 8.247 20.304 7.549 1.00 0.00 C ATOM 808 CD GLU A 49 8.330 21.805 7.197 1.00 0.00 C ATOM 809 OE1 GLU A 49 9.084 22.172 6.267 1.00 0.00 O ATOM 810 OE2 GLU A 49 7.646 22.628 7.848 1.00 0.00 O ATOM 0 H GLU A 49 5.861 17.897 5.351 1.00 0.00 H new ATOM 0 HA GLU A 49 8.103 17.534 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.611 19.560 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.289 19.971 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.938 20.202 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.242 19.867 7.468 1.00 0.00 H new ATOM 817 N GLU A 50 5.186 17.386 8.471 1.00 0.00 N ATOM 818 CA GLU A 50 4.419 17.169 9.723 1.00 0.00 C ATOM 819 C GLU A 50 5.138 16.197 10.680 1.00 0.00 C ATOM 820 O GLU A 50 5.093 16.379 11.899 1.00 0.00 O ATOM 821 CB GLU A 50 2.984 16.679 9.394 1.00 0.00 C ATOM 822 CG GLU A 50 2.912 15.384 8.564 1.00 0.00 C ATOM 823 CD GLU A 50 1.494 15.098 8.046 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.016 15.860 7.174 1.00 0.00 O ATOM 825 OE2 GLU A 50 0.845 14.138 8.505 1.00 0.00 O ATOM 0 H GLU A 50 4.665 17.144 7.628 1.00 0.00 H new ATOM 0 HA GLU A 50 4.349 18.125 10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.446 16.523 10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.462 17.468 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.596 15.459 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.249 14.546 9.174 1.00 0.00 H new ATOM 832 N PHE A 51 5.838 15.195 10.113 1.00 0.00 N ATOM 833 CA PHE A 51 6.666 14.258 10.899 1.00 0.00 C ATOM 834 C PHE A 51 7.872 14.990 11.523 1.00 0.00 C ATOM 835 O PHE A 51 8.220 14.755 12.681 1.00 0.00 O ATOM 836 CB PHE A 51 7.126 13.063 10.025 1.00 0.00 C ATOM 837 CG PHE A 51 5.964 12.208 9.527 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.356 11.275 10.367 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.469 12.350 8.235 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.292 10.514 9.930 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.407 11.586 7.794 1.00 0.00 C ATOM 842 CZ PHE A 51 3.818 10.668 8.642 1.00 0.00 C ATOM 0 H PHE A 51 5.846 15.013 9.109 1.00 0.00 H new ATOM 0 HA PHE A 51 6.058 13.861 11.711 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.686 13.440 9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.808 12.439 10.602 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.724 11.147 11.374 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.922 13.068 7.567 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.830 9.799 10.594 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.037 11.706 6.787 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.987 10.071 8.298 1.00 0.00 H new ATOM 852 N ILE A 52 8.471 15.923 10.766 1.00 0.00 N ATOM 853 CA ILE A 52 9.568 16.779 11.269 1.00 0.00 C ATOM 854 C ILE A 52 9.026 17.670 12.415 1.00 0.00 C ATOM 855 O ILE A 52 9.700 17.879 13.438 1.00 0.00 O ATOM 856 CB ILE A 52 10.225 17.653 10.114 1.00 0.00 C ATOM 857 CG1 ILE A 52 10.961 16.749 9.050 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.196 18.725 10.681 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.061 15.927 8.133 1.00 0.00 C ATOM 0 H ILE A 52 8.215 16.108 9.796 1.00 0.00 H new ATOM 0 HA ILE A 52 10.363 16.139 11.652 1.00 0.00 H new ATOM 0 HB ILE A 52 9.409 18.173 9.612 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.589 17.390 8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.626 16.067 9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.623 19.300 9.859 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.651 19.394 11.347 1.00 0.00 H new ATOM 0 HG23 ILE A 52 11.996 18.234 11.235 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.676 15.346 7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.450 15.252 8.732 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.413 16.595 7.565 1.00 0.00 H new ATOM 871 N ASP A 53 7.750 18.090 12.272 1.00 0.00 N ATOM 872 CA ASP A 53 7.062 18.924 13.273 1.00 0.00 C ATOM 873 C ASP A 53 6.854 18.108 14.560 1.00 0.00 C ATOM 874 O ASP A 53 7.120 18.608 15.671 1.00 0.00 O ATOM 875 CB ASP A 53 5.706 19.453 12.718 1.00 0.00 C ATOM 876 CG ASP A 53 4.816 20.147 13.781 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.160 21.260 14.230 1.00 0.00 O ATOM 878 OD2 ASP A 53 3.759 19.587 14.158 1.00 0.00 O ATOM 0 H ASP A 53 7.173 17.860 11.463 1.00 0.00 H new ATOM 0 HA ASP A 53 7.680 19.792 13.501 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.906 20.158 11.911 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.153 18.620 12.284 1.00 0.00 H new ATOM 883 N GLU A 54 6.491 16.801 14.398 1.00 0.00 N ATOM 884 CA GLU A 54 6.216 15.930 15.552 1.00 0.00 C ATOM 885 C GLU A 54 7.532 15.676 16.291 1.00 0.00 C ATOM 886 O GLU A 54 7.541 15.532 17.513 1.00 0.00 O ATOM 887 CB GLU A 54 5.519 14.575 15.179 1.00 0.00 C ATOM 888 CG GLU A 54 6.462 13.408 14.796 1.00 0.00 C ATOM 889 CD GLU A 54 5.788 12.033 14.802 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.646 11.440 15.899 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.407 11.532 13.724 1.00 0.00 O ATOM 0 H GLU A 54 6.387 16.346 13.491 1.00 0.00 H new ATOM 0 HA GLU A 54 5.502 16.449 16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.908 14.259 16.024 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.841 14.756 14.345 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.871 13.596 13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.303 13.392 15.489 1.00 0.00 H new ATOM 898 N PHE A 55 8.652 15.691 15.519 1.00 0.00 N ATOM 899 CA PHE A 55 9.998 15.497 16.057 1.00 0.00 C ATOM 900 C PHE A 55 10.336 16.635 17.028 1.00 0.00 C ATOM 901 O PHE A 55 10.835 16.383 18.134 1.00 0.00 O ATOM 902 CB PHE A 55 11.042 15.398 14.917 1.00 0.00 C ATOM 903 CG PHE A 55 12.490 15.394 15.398 1.00 0.00 C ATOM 904 CD1 PHE A 55 12.929 14.453 16.329 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.402 16.348 14.944 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.224 14.470 16.789 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.702 16.354 15.403 1.00 0.00 C ATOM 908 CZ PHE A 55 15.109 15.416 16.328 1.00 0.00 C ATOM 0 H PHE A 55 8.632 15.839 14.510 1.00 0.00 H new ATOM 0 HA PHE A 55 10.028 14.555 16.604 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.857 14.487 14.347 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.899 16.236 14.234 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.243 13.702 16.693 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.086 17.090 14.225 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.547 13.738 17.515 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.401 17.092 15.038 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.126 15.424 16.692 1.00 0.00 H new ATOM 918 N ASN A 56 9.982 17.868 16.629 1.00 0.00 N ATOM 919 CA ASN A 56 10.211 19.070 17.448 1.00 0.00 C ATOM 920 C ASN A 56 9.431 18.965 18.773 1.00 0.00 C ATOM 921 O ASN A 56 9.889 19.441 19.817 1.00 0.00 O ATOM 922 CB ASN A 56 9.803 20.340 16.656 1.00 0.00 C ATOM 923 CG ASN A 56 10.013 21.648 17.431 1.00 0.00 C ATOM 924 OD1 ASN A 56 9.106 22.156 18.093 1.00 0.00 O ATOM 925 ND2 ASN A 56 11.218 22.195 17.357 1.00 0.00 N ATOM 0 H ASN A 56 9.531 18.059 15.734 1.00 0.00 H new ATOM 0 HA ASN A 56 11.272 19.146 17.686 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.378 20.380 15.731 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.753 20.260 16.375 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.416 23.062 17.857 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.947 21.749 16.800 1.00 0.00 H new ATOM 932 N GLY A 57 8.269 18.286 18.712 1.00 0.00 N ATOM 933 CA GLY A 57 7.425 18.074 19.881 1.00 0.00 C ATOM 934 C GLY A 57 7.873 16.902 20.761 1.00 0.00 C ATOM 935 O GLY A 57 7.755 16.976 21.990 1.00 0.00 O ATOM 0 H GLY A 57 7.900 17.876 17.854 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.415 18.984 20.481 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.401 17.899 19.552 1.00 0.00 H new ATOM 939 N LEU A 58 8.410 15.817 20.158 1.00 0.00 N ATOM 940 CA LEU A 58 8.702 14.568 20.911 1.00 0.00 C ATOM 941 C LEU A 58 10.091 14.632 21.558 1.00 0.00 C ATOM 942 O LEU A 58 10.331 14.005 22.596 1.00 0.00 O ATOM 943 CB LEU A 58 8.515 13.287 20.014 1.00 0.00 C ATOM 944 CG LEU A 58 9.472 13.088 18.772 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.846 12.459 19.131 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.779 12.281 17.646 1.00 0.00 C ATOM 0 H LEU A 58 8.648 15.776 19.167 1.00 0.00 H new ATOM 0 HA LEU A 58 7.974 14.484 21.717 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.622 12.414 20.657 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.489 13.288 19.645 1.00 0.00 H new ATOM 0 HG LEU A 58 9.683 14.093 18.408 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.446 12.354 18.227 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.367 13.103 19.840 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.691 11.477 19.579 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.465 12.163 16.808 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.495 11.299 18.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.888 12.813 17.313 1.00 0.00 H new ATOM 958 N HIS A 59 10.998 15.410 20.940 1.00 0.00 N ATOM 959 CA HIS A 59 12.389 15.532 21.399 1.00 0.00 C ATOM 960 C HIS A 59 12.504 16.722 22.371 1.00 0.00 C ATOM 961 O HIS A 59 13.185 16.633 23.397 1.00 0.00 O ATOM 962 CB HIS A 59 13.344 15.700 20.192 1.00 0.00 C ATOM 963 CG HIS A 59 14.764 15.362 20.529 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.676 16.270 21.014 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.405 14.178 20.484 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.817 15.657 21.252 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.676 14.385 20.940 1.00 0.00 N ATOM 0 H HIS A 59 10.787 15.968 20.113 1.00 0.00 H new ATOM 0 HA HIS A 59 12.680 14.622 21.925 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.007 15.062 19.375 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.294 16.729 19.835 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.991 13.239 20.149 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.715 16.118 21.637 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.399 13.670 21.025 1.00 0.00 H new